2-(azepan-1-yl)-3-(2-ethylpiperidin-1-yl)sulfonyl-naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-(2-ethylpiperidin-1-yl)sulfonyl-naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-[(2-ethyl-1-piperidyl)sulfonyl]naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-[(2-ethyl-1-piperidinyl)sulfonyl]naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-(2-ethylpiperidin-1-yl)sulfonylnaphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-(2-ethylpiperidino)sulfonyl-1,4-naphthoquinone Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C23H30N2O4S/c1-2-17-11-7-10-16-25(17)30(28,29)23-20(24-14-8-3-4-9-15-24)21(26)18-12-5-6-13-19(18)22(23)27/h5-6,12-13,17H,2-4,7-11,14-16H2,1H3